iterations/neb0_image09_iter40.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.471678095581 0.212787515329 0.494445047685} O1 1 1
14 {} {0.336034020378 0.216464944125 0.586479753191} Si1 2 1
14 {} {0.602691146015 0.298723396579 0.444982266791} Si2 3 1
8 {} {0.559146243782 0.45102968986 0.401950736225} O2 4 1
8 {} {0.329520984661 0.355466228127 0.674253600994} O3 5 1
14 {} {0.296066194871 0.515917368985 0.669385924651} Si3 6 1
14 {} {0.506907742857 0.599190379166 0.450848449132} Si4 7 1
1 {} {0.341449849196 0.104215318377 0.682765198081} H1 8 1
1 {} {0.217936469918 0.208540947576 0.496440291407} H2 9 1
1 {} {0.658399495664 0.230694196534 0.325788588263} H3 10 1
1 {} {0.702490715886 0.308168001142 0.55500422981} H4 11 1
1 {} {0.149432030938 0.537183495581 0.658293702065} H5 12 1
1 {} {0.348694561118 0.575663087855 0.794919242997} H6 13 1
1 {} {0.323202547089 0.878023592651 0.413773240225} H7 14 1
1 {} {0.480421418381 0.675728864652 0.326675393924} H8 15 1
1 {} {0.610495299429 0.66529717542 0.536618315674} H10 16 1
8 {} {0.367993617791 0.585980668815 0.537385636136} O 17 1
1 {} {0.307525728699 0.853443073156 0.481048380568} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end